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Updated: May 16, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

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分子对接-QSAR-Kronecker-规范化基于最小平方的多重机器学习,用于评估和预测PFAS与蛋白质结合相互作用

Lihui Zhao1, Zixuan Zhang2, Hailei Su2

  • 1State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China; College of geoexploration science and technology, Jilin University, Changchun 130026, China.

Journal of hazardous materials
|April 3, 2025
PubMed
概括

这项研究使用计算建模来预测和多基物质 (PFAS) 如何与人体蛋白质结合,有助于理解它们的健康风险和管理环境污染.

关键词:
在Kron-RLS模型中.分子对接是分子对接.在PFAS中,我们可以使用PFAS.蛋白质蛋白质是一种蛋白质.这是一个QSAR模型.

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In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox

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